2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine

C22H26F2N2O — CID 10499540

IUPAC2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine
SMILESNCCN1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2/t19-,20+,21?
InChIKeyHKONLYZKJHOXAP-WCRBZPEASA-N
MW372.46 g/mol
LogP4.02
Rot. Bonds6

About 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine

2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine (PubChem CID 10499540) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine.

Molecular Properties

Compound Name2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine
PubChem CID10499540
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC Name2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine
SMILESNCCN1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2/t19-,20+,21?
InChIKeyHKONLYZKJHOXAP-WCRBZPEASA-N
XLogP4.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine?
The IUPAC name of 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine (CID 10499540) is 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine.
What is the SMILES notation for 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine?
The canonical SMILES for 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine is NCCN1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine?
The InChIKey is HKONLYZKJHOXAP-WCRBZPEASA-N. The full InChI is InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2/t19-,20+,21?.
What are the key properties of 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine?
2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine has a molecular weight of 372.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine is sourced from PubChem (CID 10499540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).